SCHEMBL16933698

SCHEMBL16933698

CC(C)(c1ccc(-c2ccc(OCCn3cccn3)cc2)cc1)N(C(=O)O)C1CN2CCC1CC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ GFER P55789 1/20 0.36
▸ ACKR3 P25106 2/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ HRH3 Q9Y5N1 6/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16933652 0.89 ACKR3 (0.35) ACKR3CHRM5CHRM1CHRM3HRH3
SCHEMBL16933479 0.83 CHRM5 (0.40) CHRM5CHRM1CHRM3HRH3
SCHEMBL16933481 0.83 CHRM5 (0.40) CHRM5CHRM1CHRM3HRH3
SCHEMBL16933687 0.82 CHRM5 (0.42) CHRM5CHRM1CHRM3HRH3
SCHEMBL16933523 0.80 CHRM5 (0.40) CHRM5CHRM1CHRM3HRH3
SCHEMBL15579458 0.79 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16933673 0.79 ATP4A (0.40) HRH3
SCHEMBL16933531 0.79 GPR119 (0.41) CHRM5CHRM1CHRM3
SCHEMBL29399378 0.78 NTMT1 (0.49) —
SCHEMBL16933699 0.77 HRH3 (0.42) CHRM5CHRM1CHRM3HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA JAK2 3509/4885PRKAB2 3161/4885PRKAG1 1844/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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